2-[4-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-(methylsulfanylmethyl)furan-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-[(methylthio)methyl]-2-furoyl]piperazino]acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-20-9-10-2-3-11(19-10)13(18)15-6-4-14(5-7-15)8-12(16)17/h2-3H,4-9H2,1H3,(H,16,17)